Geometry & MOs

Info

ID:	81747
PubChem CID:	49855087
Reduced:	ClFSO3N5C19H19 (1)
Stoich.:	ABCD3E5F19G19 (1)
Weight, g/mol:	485.073609
ΔH_f, kcal/mol:	-93.83
Dipole, Da:	3.92
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-(3,4-difluoro-2-methoxyanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)OC)NS(=O)(=O)C)Cl

DOS

IR

Vibrations